UCSF

ZINC69878479

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 10.62 -10.47 0 4 0 38 285.391 5
Lo Low (pH 4.5-6) 2.54 9.97 -32.34 1 4 1 39 286.399 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.